SCHEMBL2039641

SCHEMBL2039641

COc1cc(OC)nc(Oc2cccnc2OC(=O)OCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9390418 0.87 CYP1A2 (0.47) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2043804 0.84 CTSA (0.49) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL732099 0.83 CTSA (0.54) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL8723367 0.81 MEN1 (0.48) ALDH1A1
SCHEMBL9193808 0.78 ALDH1A1 (0.52) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9221970 0.76 ALDH1A1 (0.62) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9693378 0.74 CTSA (0.52) CTSANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9191891 0.74 ALDH1A1 (0.48) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9221963 0.74 CYP1A2 (0.52) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9693873 0.74 NPSR1 (0.53) CTSANPSR1CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
WO-2011076731-A1 LIQUID FORMULATION OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)CARBAMOYL]BENZOLSULFONAMIDE BAYER CROPSCIENCE AG (DE) 2011-06-30 WO disclosed
EP-2224813-A2 HERBICIDE-AZOLE COMBINATION Bayer CropScience AG (DE) 2010-09-08 EP disclosed
EP-2152077-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS Bayer CropScience AG (DE) 2010-02-17 EP disclosed
EP-2144879-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF Bayer CropScience AG (DE) 2010-01-20 EP disclosed
EP-2117317-A2 PENETRATION ENHANCER FOR HERBICIDES AND SAFENERS Bayer CropScience AG (DE) 2009-11-18 EP disclosed
EP-2111104-A2 OIL SUSPENSION CONCENTRATE WITH MICRO-ENCAPSULATED AGROCHEMICAL ACTIVE INGREDIENTS Bayer CropScience AG (DE) 2009-10-28 EP disclosed
WO-2009068193-A2 HERBICIDE-AZOLE COMBINATION BAYER CROPSCIENCE AG (DE) 2009-06-04 WO disclosed
WO-1999016744-A1 ACYLSULFAMOYL BENZOIC ACID AMIDES, PLANT PROTECTION AGENTS CONTAINING SAID ACYLSULFAMOYL BENZOIC ACID AMIDES, AND METHOD FOR PRODUCING THE SAME AVENTIS CROPSCIENCE GMBH (DE) 1999-04-08 WO disclosed
WO-1999000020-A1 3-(5-TETRAZOLYL CARBONYL)-2-QUINOLONES AND PRODUCTS FOR PROTECTING USEFUL PLANTS CONTAINING THE SAME HOECHST SCHERING AGREVO GMBH (DE) 1999-01-07 WO disclosed
WO-1998027049-A1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF HOECHST SCHERING AGREVO GMBH (DE) 1998-06-25 WO disclosed
WO-1997045016-A1 NOVEL N-ACYL SULPHONAMIDES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THEIR USE HOECHST SCHERING AGREVO GMBH (DE) 1997-12-04 WO disclosed
EP-0719261-A1 SUBSTITUTED ISOXAZOLINES, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE AS SAFENERS Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
EP-0697016-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND THEIR USE AS SAFENERS Hoechst Schering AgrEvo GmbH (DE) 1996-02-21 EP disclosed
EP-0663397-A2 Bicyclic heteroaryl compounds, process for their preparation and their use as safener Hoechst Schering AgrEvo GmbH (DE) 1995-07-19 EP disclosed
WO-1995007897-A1 SUBSTITUTED ISOXAZOLINES, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE AS SAFENERS HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
WO-1994026716-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND THEIR USE AS SAFENERS HOECHST SCHERING AGREVO GMBH (DE) 1994-11-24 WO disclosed
EP-0582198-A2 Substituted (hetero-)aryle compounds, process for their preparation, those containing compositions and their use as safeners Hoechst Schering AgrEvo GmbH (DE) 1994-02-09 EP disclosed